4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine

C15H14Cl2N2O2 — CID 115349516

IUPAC4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
SMILESCOc1cc2c(cc1-c1nc(Cl)c(C)c(Cl)n1)OC(C)C2
InChIInChI=1S/C15H14Cl2N2O2/c1-7-4-9-5-12(20-3)10(6-11(9)21-7)15-18-13(16)8(2)14(17)19-15/h5-7H,4H2,1-3H3
InChIKeyXQGFSWNORJURFX-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.09
Rot. Bonds2

About 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine

4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine (PubChem CID 115349516) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
PubChem CID115349516
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
SMILESCOc1cc2c(cc1-c1nc(Cl)c(C)c(Cl)n1)OC(C)C2
InChIInChI=1S/C15H14Cl2N2O2/c1-7-4-9-5-12(20-3)10(6-11(9)21-7)15-18-13(16)8(2)14(17)19-15/h5-7H,4H2,1-3H3
InChIKeyXQGFSWNORJURFX-UHFFFAOYSA-N
XLogP4.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine
CID 115349486
3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2,4-thiadiazol-5-amine
CID 113291877
5-iodo-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-methylpyrimidin-4-amine
CID 115349615
5-fluoro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methyl-1H-pyrimidin-6-one
CID 136965461
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115349479
2-ethyl-5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349587
[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
CID 115349668
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349578
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115349548
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
CID 115349494
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
CID 115349493
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine (CID 115349516) is 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine is COc1cc2c(cc1-c1nc(Cl)c(C)c(Cl)n1)OC(C)C2.
What is the InChIKey of 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine?
The InChIKey is XQGFSWNORJURFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-7-4-9-5-12(20-3)10(6-11(9)21-7)15-18-13(16)8(2)14(17)19-15/h5-7H,4H2,1-3H3.
What are the key properties of 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine?
4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine has a molecular weight of 325.20 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine is sourced from PubChem (CID 115349516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).